Research workbench
The crystal structure of immunity factor for spn (ifs)
Analyse The crystal structure of immunity factor for spn (ifs) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QB2
- Type
- protein
- Length
- 652 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunity factor for spn
- UniProt
- Q2VJ58
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Immunity factor for spn | protein | 156 | 69% helix, 0% strand | Q2VJ58 |
| B | Immunity factor for spn | protein | 173 | 72% helix, 0% strand | Q2VJ58 |
| C | Immunity factor for spn | protein | 164 | 69% helix, 0% strand | Q2VJ58 |
| D | Immunity factor for spn | protein | 159 | 69% helix, 0% strand | Q2VJ58 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1158 | 0.81 | 0.82 | 83 | empty |
| 2 | 1022 | 0.81 | 0.82 | 89 | empty |
| 3 | 147 | 0.71 | 0.90 | 32 | empty |
| 4 | 187 | 0.56 | 0.80 | 33 | empty |
| 5 | 65 | 0.36 | 0.78 | 17 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2153 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1611 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 178 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 85 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 3QB2 · The Crystal Structure of Immunity Factor for SPN (IFS) · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q2VJ58
- Elsewhere: RCSB PDB 3QB2 · PDBe 3QB2 · UniProt Q2VJ58
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